Information card for entry 7249010

Structure parameters

• Formula: C16 H14 Cd2 Cl6 N8
• Calculated formula: C16 H14 Cd2 Cl6 N8
• Title of publication: Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines
• Authors of publication: Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 33
• Pages of publication: 4418 - 4430
• a: 7.9194 ± 0.0005 Å
• b: 11.28 ± 0.0007 Å
• c: 14.7285 ± 0.0005 Å
• α: 102.283 ± 0.004°
• β: 92.67 ± 0.004°
• γ: 110.237 ± 0.006°
• Cell volume: 1195.82 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No